SCHEMBL8558072

SCHEMBL8558072

O=S(=O)(Nc1oc(CCc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
PTGS1 P23219 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
LIMK2 P53671 2/20 0.41
MAPK13 O15264 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
AR P10275 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8558539 0.93 PTGS2 (0.47) PTGS2PTGS1TAAR1MAPTMEN1
SCHEMBL8557761 0.90 MAPT (0.49) PTGS2PTGS1TAAR1MAPTMEN1
SCHEMBL8558727 0.89 MAPT (0.45) PTGS2MAPTMEN1KMT2APOLB
SCHEMBL8558401 0.89 MAPT (0.45) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL8556139 0.86 MAPT (0.47) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8559953 0.86 AR (0.45) PTGS2PTGS1TAAR1MAPTMEN1
SCHEMBL9026918 0.84 AR (0.45) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8555819 0.82 MAPT (0.40) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL8560966 0.82 AR (0.48) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8560329 0.81 PTGS2 (0.52) PTGS2PTGS1MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed